Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQNYSGEVGLQYHLQIRPGDV--GRYVIMPGDPKRCAKIAEHFDNAVLVADSREYVTYTGTLNGEKVSVTSTGIGGPSASIAMEELKLCGADTFIRVGTCGGIDLDVKGGDIVIATGAIRMEGTSKEYAPIEFPAVADLEVTNALVNAAKKLGYTSHAGVVQCKDAFY-GQHEPERMP--VSYELLNKWEAWKRLGTKASEMESAALFVAASHLGVRCGSDFLVVGNQERNALGMDNPMAHDTEAAIQVAVEALRTLIENDKSQ
4NY1 Chain:B ((7-253))
-----------FHLGLTKNDLQGATLAIVPGDPQRVEKIAKLMDNPVHLASHREFTSWRAELDGKAVIVCSTGIGGPSTSIAVEELAQLGVRTFLRIGTTGAIQPHINVGDVLVTTAAVRLDGASLHFAPMEFPAVADFSCTTALVNAAKSVGATTHIGITASSDTFYPGQERYDTFSGRVVRHFKGSMEEWQSMGVMNYEMESATLLTMCASQGLRAGMVAGVIVNRTQQEIPNEETMKATESHAVKIVVEAARHLL------
General information:
TITO was launched using:
RESULT:
Template:
4NY1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -119466 for 2125 contacts (-56.2/contact) +
2D Compatibility (PS) -26622 + (NN) -18328 + (LL) 664
1D Compatibility (HY) -18000 + (ID) 4950
Total energy: -186702.0 ( -87.86 by residue)
QMean score : 0.511
(partial model without unconserved sides chains):
PDB file :
Tito_4NY1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NY1-query.scw
PDB file :
Tito_Scwrl_4NY1.pdb
: